ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate

C17H32N2O2 — CID 79628675

IUPACethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(N2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-11-18-17(16(20)21-4-2)10-8-9-15(14-17)19-12-6-5-7-13-19/h15,18H,3-14H2,1-2H3
InChIKeyANXQGYPCMUUFDX-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.72
Rot. Bonds6

About ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate

ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate (PubChem CID 79628675) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
PubChem CID79628675
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
SMILESCCCNC1(C(=O)OCC)CCCC(N2CCCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-3-11-18-17(16(20)21-4-2)10-8-9-15(14-17)19-12-6-5-7-13-19/h15,18H,3-14H2,1-2H3
InChIKeyANXQGYPCMUUFDX-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
ethyl 1-(propylamino)-3-pyrazol-1-ylcyclohexane-1-carboxylate
CID 79641998
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 1-(methylamino)-3-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 79636962
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722

Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate (CID 79628675) is ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate is CCCNC1(C(=O)OCC)CCCC(N2CCCCC2)C1.
What is the InChIKey of ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate?
The InChIKey is ANXQGYPCMUUFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-11-18-17(16(20)21-4-2)10-8-9-15(14-17)19-12-6-5-7-13-19/h15,18H,3-14H2,1-2H3.
What are the key properties of ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate?
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79628675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).